SCHEMBL5496889

SCHEMBL5496889

CCC(C=CC(=O)O)=Cc1ccc2c(c1)OCCO2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
MAPT P10636 3/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
ATM Q13315 1/20 0.48
CYP1A2 P05177 2/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGD P15428 3/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
STAT3 P40763 1/20 0.44
CNR2 P34972 1/20 0.44
TRPV1 Q8NER1 2/20 0.44
CXCL12 P48061 1/20 0.43
MAOB P27338 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5496886 1.00 KDM4E (0.61) KDM4EMAPTRAB9ANPC1ATM
SCHEMBL4270751 0.92 CYP1A2 (0.57) KDM4ECYP1A2HSD17B10HPGDALDH1A1
SCHEMBL4270755 0.92 CYP1A2 (0.57) KDM4ECYP1A2HSD17B10HPGDALDH1A1
SCHEMBL5489818 0.92 CYP1A2 (0.57) KDM4ECYP1A2HSD17B10HPGDALDH1A1
SCHEMBL5492850 0.92 CYP1A2 (0.57) KDM4ECYP1A2HSD17B10HPGDALDH1A1
SCHEMBL5493874 0.87 KDM4E (0.47) KDM4EMAPTRAB9ANPC1ATM
Pyrrole SCHEMBL5494858 0.85 CYP1A2 (0.50) KDM4EMAPTRAB9ANPC1CYP1A2
SCHEMBL5494845 0.83 ATM (0.49) KDM4EMAPTRAB9ANPC1ATM
SCHEMBL5494847 0.83 ATM (0.49) KDM4EMAPTRAB9ANPC1ATM
SCHEMBL5498122 0.82 CYP1A2 (0.54) KDM4ECYP1A2HSD17B10HPGDALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073860-B2 Aromatic amides as potentiators of bioefficacy of anti-infective drugs COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-07-07 US claimed
US-20140073595-A1 AROMATIC AMIDES AS POTENTIATORS OF BIOEFFICACY OF ANTI-INFECTIVE DRUGS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-03-13 US claimed
US-8580752-B2 Aromatic amides as potentiators of bioefficacy of anti-infective drugs COUNCIL OF SCIENTITIC AND INDUSTRIAL RESEARCH (IN) 2013-11-12 US claimed
US-20070004645-A1 Aromatic amides as potentiators of bioefficacy of anti-infective drugs COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-01-04 US claimed
WO-2006103527-A1 AROMATIC SUBSTITUTED PENTADIENOIC ACID AMIDE FOR COMBINATION WITH ANTI-INFECTIVE DRUGS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-10-05 WO claimed
US-9073860-B2 Aromatic amides as potentiators of bioefficacy of anti-infective drugs COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-07-07 US disclosed
US-20140073595-A1 AROMATIC AMIDES AS POTENTIATORS OF BIOEFFICACY OF ANTI-INFECTIVE DRUGS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2014-03-13 US disclosed
US-8580752-B2 Aromatic amides as potentiators of bioefficacy of anti-infective drugs COUNCIL OF SCIENTITIC AND INDUSTRIAL RESEARCH (IN) 2013-11-12 US disclosed
US-20070004645-A1 Aromatic amides as potentiators of bioefficacy of anti-infective drugs COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-01-04 US disclosed
WO-2006103527-A1 AROMATIC SUBSTITUTED PENTADIENOIC ACID AMIDE FOR COMBINATION WITH ANTI-INFECTIVE DRUGS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-10-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140073595-A1 AROMATIC AMIDES AS POTENTIATORS OF BIOEFFICACY OF ANTI-INFECTIVE DRUGS DDC, APEH, AADAC KDM4E 1523/4885MAPT 4517/4885RAB9A 2057/4885
US-20070004645-A1 Aromatic amides as potentiators of bioefficacy of anti-infective drugs DDC, APEH, AADAC KDM4E 1523/4885MAPT 4517/4885RAB9A 2057/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.